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<compound>
  <id type="integer">322770</id>
  <title nil="true"/>
  <common-name>2-[[4-[(2-amino-4-oxo-6,7-dihydro-3h-pteridin-6-yl)methylamino]benzoyl]-methylamino]pentanedioic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>168354691</pubchem-id>
  <chemical-formula>C20H23N7O6</chemical-formula>
  <weight>457.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-29T23:06:46Z</created-at>
  <updated-at type="dateTime">2026-08-29T23:06:46Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CN(C(CCC(=O)O)C(=O)O)C(=O)C1=CC=C(C=C1)NCC2CN=C3C(=N2)C(=O)NC(=N3)N</moldb-smiles>
  <moldb-formula>C20H23N7O6</moldb-formula>
  <moldb-inchi>InChI=1S/C20H23N7O6/c1-27(13(19(32)33)6-7-14(28)29)18(31)10-2-4-11(5-3-10)22-8-12-9-23-16-15(24-12)17(30)26-20(21)25-16/h2-5,12-13,22H,6-9H2,1H3,(H,28,29)(H,32,33)(H3,21,23,25,26,30)</moldb-inchi>
  <moldb-inchikey>HPVVDMSJHRUMGB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">457.1709815</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>-1.1</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM318663</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-[[4-[(2-amino-4-oxo-6,7-dihydro-3h-pteridin-6-yl)methylamino]benzoyl]-methylamino]pentanedioic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0273472</sync-id>
  <structure-inchikey>HPVVDMSJHRUMGB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40002400000001020000800000300000000000000000000100000000000000000000000000000020000200000000002004000000000000000000000004100000800000020080000000100001000000000020000000000040000000001002000000000000010020000010000000004000000000020200001000000000000000100000000040000000000000200000000080101000000000000400000000000002010000000000100000000000084000000084000200804000041000000000000800000008000000040800000000000000000000004000000000404200000000000000000000000801000040000080000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���#���€���`�������(�������`�������`�������`�������(�������(�������h��������(�������(�������h��������(�������(������@(������@h�������@h�������@(������@h�������@h��������h��������`�������`�������`�������(������@(������@(�������(������@(�������(������@8�������@(������@(�������h������������������������(��� ����	(��
 �� ��(�� �h���h���h���h���h��� ��������������(���h���(���h���(���h���h���h��  �h������h�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:27:13Z</structure-indexed-at>
</compound>
